Hi,
I am trying to install Amber20 on my SGI cluster with mpt/2.20 as MPI compiler.
When I run the following cmake command:
cmake $AMBER_PREFIX/amber20_src \
-DCMAKE_INSTALL_PREFIX=/opt/apps/software/Core/amber/20 \
-DCOMPILER=GNU \
-DMPI=TRUE -DCUDA=FALSE -DINSTALL_TESTS=TRUE \
-DDOWNLOAD_MINICONDA=TRUE -DMINICONDA_USE_PY3=TRUE \
2>&1 | tee cmake.log
I get the error below:
-- **************************************************************************
-- Starting configuration of Amber version 20.0.0...
-- CMake Version: 3.11.4
-- For how to use this build system, please read this wiki:
--
http://ambermd.org/pmwiki/pmwiki.php/Main/CMake
-- For a list of important CMake variables, check here:
--
http://ambermd.org/pmwiki/pmwiki.php/Main/CMake-Common-Options
-- **************************************************************************
-- Setting C compiler to gcc
-- Setting CXX compiler to g++
-- Setting Fortran compiler to gfortran
-- Amber source found, building AmberTools and Amber
-- The C compiler identification is GNU 8.2.0
-- The CXX compiler identification is GNU 8.2.0
-- The Fortran compiler identification is GNU 8.2.0
-- Check for working C compiler: /opt/apps/software/pkg/gcc/8.2.0/bin/gcc
-- Check for working C compiler: /opt/apps/software/pkg/gcc/8.2.0/bin/gcc -- works
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Detecting C compile features
-- Detecting C compile features - done
-- Check for working CXX compiler: /opt/apps/software/pkg/gcc/8.2.0/bin/g++
-- Check for working CXX compiler: /opt/apps/software/pkg/gcc/8.2.0/bin/g++ -- works
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Check for working Fortran compiler: /opt/apps/software/pkg/gcc/8.2.0/bin/gfortran
-- Check for working Fortran compiler: /opt/apps/software/pkg/gcc/8.2.0/bin/gfortran -- works
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Checking whether /opt/apps/software/pkg/gcc/8.2.0/bin/gfortran supports Fortran 90
-- Checking whether /opt/apps/software/pkg/gcc/8.2.0/bin/gfortran supports Fortran 90 -- yes
-- Testing if stdlib.h can be included...
-- Testing if stdlib.h can be included... yes
-- Found MPI_C: /usr/lib64/libpthread.so (found version "3.1")
-- Found MPI_CXX: /usr/lib64/libpthread.so (found version "3.1")
-- Found MPI_Fortran: /usr/lib64/libpthread.so (found version "3.1")
-- Found MPI: TRUE (found version "3.1")
-- MPI C Compiler: /opt/apps/sgi/mpt-2.20/bin/mpicc
-- MPI CXX Compiler: /opt/apps/sgi/mpt-2.20/bin/mpicxx
-- MPI Fortran Compiler: /opt/apps/sgi/mpt-2.20/bin/mpif90
-- If these are not the correct MPI wrappers, then set MPI_<language>_COMPILER to the correct wrapper and reconfigure.
RegularExpression::compile(): Nested *?+.
RegularExpression::compile(): Error in compile.
CMake Error at cmake/LibraryTracking.cmake:38 (if):
if given arguments:
"NOT" "(" "/usr/lib64/libpthread.so;/opt/apps/sgi/mpt-2.20/lib/libmpi.so" "MATCHES" "/opt/apps/sgi/mpt-2.20/lib/libmpi++.so" "OR" "/usr/lib64/libpthread.so;/opt/apps/sgi/mpt-2.20/lib/libmpi.so" "MATCHES" "/opt/apps/sgi/mpt-2.20/lib/libmpi++.so" ")"
Regular expression "/opt/apps/sgi/mpt-2.20/lib/libmpi++.so" cannot compile
Call Stack (most recent call first):
cmake/LibraryTracking.cmake:196 (using_external_library)
cmake/MPIConfig.cmake:122 (import_libraries)
CMakeLists.txt:118 (include)
-- Configuring incomplete, errors occurred!
See also "/opt/apps/software/src/amber/amber20_src/build/CMakeFiles/CMakeOutput.log".
If the cmake build report looks OK, you should now do the following:
make install
source /opt/apps/software/src/amber/amber20/amber.sh
Consider adding the last line to your login startup script, e.g. ~/.bashrc
--
Gabriel Cretin
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Received on Tue Apr 27 2021 - 04:00:02 PDT
